2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide

C9H12F2N2O — CID 131181775

IUPAC2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
SMILESCC(C#N)C(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C9H12F2N2O/c1-6(4-12)8(14)13-5-7-2-9(10,11)3-7/h6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyLWWAONRBYPYAJQ-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.31
Rot. Bonds3

About 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide

2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide (PubChem CID 131181775) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
PubChem CID131181775
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
SMILESCC(C#N)C(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C9H12F2N2O/c1-6(4-12)8(14)13-5-7-2-9(10,11)3-7/h6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyLWWAONRBYPYAJQ-UHFFFAOYSA-N
XLogP1.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
CID 166321617
1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
CID 130758492
2-cyano-N-ethylpropanamide
CID 23199183
N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
CID 127004862
2-cyano-N-[(1-methylcyclopentyl)methyl]propanamide
CID 63829788
2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 79401165
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
2-cyano-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 63243648
2-cyano-N-(5,5,5-trifluoropentyl)propanamide
CID 115491644
2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
CID 63706504
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315824

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide?
The IUPAC name of 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide (CID 131181775) is 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide.
What is the SMILES notation for 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide?
The canonical SMILES for 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide is CC(C#N)C(=O)NCC1CC(F)(F)C1.
What is the InChIKey of 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide?
The InChIKey is LWWAONRBYPYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-6(4-12)8(14)13-5-7-2-9(10,11)3-7/h6-7H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide?
2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide has a molecular weight of 202.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide is sourced from PubChem (CID 131181775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).